1-(2-cyclopropyl-2-hydroxyethyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea

C15H26N2O3 — CID 71868144

IUPAC1-(2-cyclopropyl-2-hydroxyethyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea
SMILESCCOC1CC(NC(=O)NCC(O)C2CC2)C12CCC2
InChIInChI=1S/C15H26N2O3/c1-2-20-13-8-12(15(13)6-3-7-15)17-14(19)16-9-11(18)10-4-5-10/h10-13,18H,2-9H2,1H3,(H2,16,17,19)
InChIKeySANVOQDGWDCFKD-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.40
Rot. Bonds6

About 1-(2-cyclopropyl-2-hydroxyethyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea

1-(2-cyclopropyl-2-hydroxyethyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea (PubChem CID 71868144) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(2-cyclopropyl-2-hydroxyethyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-2-hydroxyethyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea
PubChem CID71868144
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(2-cyclopropyl-2-hydroxyethyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea
SMILESCCOC1CC(NC(=O)NCC(O)C2CC2)C12CCC2
InChIInChI=1S/C15H26N2O3/c1-2-20-13-8-12(15(13)6-3-7-15)17-14(19)16-9-11(18)10-4-5-10/h10-13,18H,2-9H2,1H3,(H2,16,17,19)
InChIKeySANVOQDGWDCFKD-UHFFFAOYSA-N
XLogP1.40
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-2-hydroxyethyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea?
The IUPAC name of 1-(2-cyclopropyl-2-hydroxyethyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea (CID 71868144) is 1-(2-cyclopropyl-2-hydroxyethyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea.
What is the SMILES notation for 1-(2-cyclopropyl-2-hydroxyethyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea?
The canonical SMILES for 1-(2-cyclopropyl-2-hydroxyethyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea is CCOC1CC(NC(=O)NCC(O)C2CC2)C12CCC2.
What is the InChIKey of 1-(2-cyclopropyl-2-hydroxyethyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea?
The InChIKey is SANVOQDGWDCFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-20-13-8-12(15(13)6-3-7-15)17-14(19)16-9-11(18)10-4-5-10/h10-13,18H,2-9H2,1H3,(H2,16,17,19).
What are the key properties of 1-(2-cyclopropyl-2-hydroxyethyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea?
1-(2-cyclopropyl-2-hydroxyethyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea has a molecular weight of 282.38 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-2-hydroxyethyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea is sourced from PubChem (CID 71868144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).